7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine

C17H21N5O2 — CID 75815419

IUPAC7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine
SMILESCOc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC
InChIInChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
InChIKeyJTROLECZHRVLFM-JTQLQIEISA-N
MW327.39 g/mol
LogP2.72
Rot. Bonds6

About 7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine

7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine (PubChem CID 75815419) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine.

Molecular Properties

Compound Name7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine
PubChem CID75815419
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine
SMILESCOc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC
InChIInChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1
InChIKeyJTROLECZHRVLFM-JTQLQIEISA-N
XLogP2.72
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine?
The IUPAC name of 7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine (CID 75815419) is 7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine.
What is the SMILES notation for 7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine?
The canonical SMILES for 7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine is COc1ccc2c(N[C@@H](C)Cc3cc(C)[nH]n3)ncnc2c1OC.
What is the InChIKey of 7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine?
The InChIKey is JTROLECZHRVLFM-JTQLQIEISA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(7-12-8-11(2)21-22-12)20-17-13-5-6-14(23-3)16(24-4)15(13)18-9-19-17/h5-6,8-10H,7H2,1-4H3,(H,21,22)(H,18,19,20)/t10-/m0/s1.
What are the key properties of 7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine?
7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine has a molecular weight of 327.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]quinazolin-4-amine is sourced from PubChem (CID 75815419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).